3-ethyl-6,7-difluoro-1H-indole

C10H9F2N — CID 130050075

IUPAC3-ethyl-6,7-difluoro-1H-indole
SMILESCCc1c[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C10H9F2N/c1-2-6-5-13-10-7(6)3-4-8(11)9(10)12/h3-5,13H,2H2,1H3
InChIKeyDHEBLCXIQVMQSE-UHFFFAOYSA-N
MW181.19 g/mol
LogP3.01
Rot. Bonds1

About 3-ethyl-6,7-difluoro-1H-indole

3-ethyl-6,7-difluoro-1H-indole (PubChem CID 130050075) has the molecular formula C10H9F2N and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-ethyl-6,7-difluoro-1H-indole.

Molecular Properties

Compound Name3-ethyl-6,7-difluoro-1H-indole
PubChem CID130050075
Molecular FormulaC10H9F2N
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-ethyl-6,7-difluoro-1H-indole
SMILESCCc1c[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C10H9F2N/c1-2-6-5-13-10-7(6)3-4-8(11)9(10)12/h3-5,13H,2H2,1H3
InChIKeyDHEBLCXIQVMQSE-UHFFFAOYSA-N
XLogP3.01
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,7-difluoro-1H-indole?
The IUPAC name of 3-ethyl-6,7-difluoro-1H-indole (CID 130050075) is 3-ethyl-6,7-difluoro-1H-indole.
What is the SMILES notation for 3-ethyl-6,7-difluoro-1H-indole?
The canonical SMILES for 3-ethyl-6,7-difluoro-1H-indole is CCc1c[nH]c2c(F)c(F)ccc12.
What is the InChIKey of 3-ethyl-6,7-difluoro-1H-indole?
The InChIKey is DHEBLCXIQVMQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N/c1-2-6-5-13-10-7(6)3-4-8(11)9(10)12/h3-5,13H,2H2,1H3.
What are the key properties of 3-ethyl-6,7-difluoro-1H-indole?
3-ethyl-6,7-difluoro-1H-indole has a molecular weight of 181.19 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,7-difluoro-1H-indole is sourced from PubChem (CID 130050075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).